5NXH

Crystal structure of the carboxy-terminal region of the bacteriophage T4 proximal long tail fibre protein gp34, residues 744-1289 at 2.9 Angstrom resolution


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, HANGING DROP92944-7% (w/v) PEG 6000 100 mM Tris-HCl pH 9.0
Crystal Properties
Matthews coefficientSolvent content
3.1160.43

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 107.297α = 90
b = 76.133β = 97.62
c = 139.868γ = 90
Symmetry
Space GroupP 1 21 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDADSC QUANTUM 2702013-05-13MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONPHOTON FACTORY BEAMLINE BL-17A0.9800Photon FactoryBL-17A

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Merge I (Observed)Net I Over Average Sigma (I)RedundancyNumber Reflections (All)Number Reflections (Observed)Observed Criterion Sigma (F)Observed Criterion Sigma (I)B (Isotropic) From Wilson Plot
12.8945.1896.60.0989.43.34893069.5
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R Merge I (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
12.893.0491.80.43633.3

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodStarting modelResolution (High)Resolution (Low)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUT5NXF2.8945.1847006191196.470.20210.199620.26262RANDOM64.78
Temperature Factor Modeling
Anisotropic B[1][1]Anisotropic B[1][2]Anisotropic B[1][3]Anisotropic B[2][2]Anisotropic B[2][3]Anisotropic B[3][3]
-2.68-7.863.051.67
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg37.222
r_dihedral_angle_4_deg17.517
r_dihedral_angle_3_deg16.297
r_long_range_B_refined10.12
r_long_range_B_other10.116
r_mcangle_it7.205
r_mcangle_other7.205
r_dihedral_angle_1_deg7.144
r_scangle_other6.513
r_mcbond_it4.5
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg37.222
r_dihedral_angle_4_deg17.517
r_dihedral_angle_3_deg16.297
r_long_range_B_refined10.12
r_long_range_B_other10.116
r_mcangle_it7.205
r_mcangle_other7.205
r_dihedral_angle_1_deg7.144
r_scangle_other6.513
r_mcbond_it4.5
r_mcbond_other4.5
r_scbond_it3.891
r_scbond_other3.89
r_angle_refined_deg1.48
r_angle_other_deg0.979
r_chiral_restr0.085
r_bond_refined_d0.011
r_gen_planes_refined0.005
r_bond_other_d0.002
r_gen_planes_other0.001
r_nbd_refined
r_nbd_other
r_nbtor_refined
r_nbtor_other
r_xyhbond_nbd_refined
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
r_symmetry_vdw_refined
r_symmetry_vdw_other
r_symmetry_hbond_refined
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
r_scangle_it
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms12441
Nucleic Acid Atoms
Solvent Atoms350
Heterogen Atoms6

Software

Software
Software NamePurpose
REFMACrefinement
XDSdata reduction
SCALAdata scaling
MOLREPphasing